BDBM11162 (1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorobenzyl)propylamine::(3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride::CHEMBL393336::MK-0431::Sitagliptin::Sitagliptin (13)::Triazolopiperazine Analogue 1::US10479798, Compound MK0431
SMILES N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
InChI Key InChIKey=MFFMDFFZMYYVKS-SECBINFHSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 175 hits for monomerid = 11162
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant CA1 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydra...More data for this Ligand-Target Pair
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant CA2 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydra...More data for this Ligand-Target Pair
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant CA9 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydra...More data for this Ligand-Target Pair
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant CA5A assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydr...More data for this Ligand-Target Pair
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant CA5B assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydr...More data for this Ligand-Target Pair
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of human recombinant CA4 assessed as inhibition constant pre-incubated for 15 mins measured by phenol red dye based stopped flow CO2 hydra...More data for this Ligand-Target Pair
Affinity DataIC50: 18nMpH: 7.5 T: 2°CAssay Description:The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...More data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataIC50: 4.80E+4nMpH: 7.5 T: 2°CAssay Description:The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMpH: 7.5 T: 2°CAssay Description:The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...More data for this Ligand-Target Pair
Affinity DataIC50: 30nMpH: 8.0 T: 2°CAssay Description:The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...More data for this Ligand-Target Pair
Affinity DataIC50: >2.00E+4nMAssay Description:The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...More data for this Ligand-Target Pair
Affinity DataIC50: >2.00E+4nMAssay Description:The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...More data for this Ligand-Target Pair
Affinity DataIC50: >2.00E+4nMAssay Description:The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...More data for this Ligand-Target Pair
Affinity DataIC50: 18nMpH: 7.5 T: 2°CAssay Description:The enzyme activity resulted in the formation of the fluorescent product amidomethylcoumarin (AMC), which was monitored by excitation at 360 nm and m...More data for this Ligand-Target Pair
Affinity DataIC50: 22nMpH: 7.5Assay Description:The reaction contained 10 uM of Ala-Pro-AMC, 50 pM of enzyme DDP-4, different concentrations of test compounds, and assay buffer (100 mM HEPES, pH 7....More data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:The HypoGen module in DS2.5 was employed to produce pharmaphores with the training set compounds.More data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:DPP-IV inhibitory activity was determined by measuring the p-nitroaniline (pNA) released from the chromogenic substrate hydrolysis (H-Gly-Pro-pNA). T...More data for this Ligand-Target Pair
Affinity DataIC50: 11nMT: 2°CAssay Description:A 200-µL reaction system containing DPP-IV (Sigma), a test compound, and 25 mmol/L HEPES buffer (containing 140 mmol/L NaCl, 1% BSA, and 80 mmol/L Mg...More data for this Ligand-Target Pair
Affinity DataIC50: 19nMAssay Description:Inhibition of DPP4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibition of human DPP-4 expressed in baculovirus expression system using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Competitive reversible inhibition of DPP4 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of FAPMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of FAPMore data for this Ligand-Target Pair
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human FAPMore data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibition of DPP4 in presence of 50% human serumMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of FAPMore data for this Ligand-Target Pair
Affinity DataIC50: >3.50E+4nMAssay Description:Inhibition of FAPMore data for this Ligand-Target Pair
Affinity DataIC50: 5.98E+4nMAssay Description:Inhibition of recombinant his6-tagged DPP7 (unknown origin) using Nle-Pro-AMC as substrate by continuous fluorometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 1.82E+3nMAssay Description:Inhibition of recombinant his6-tagged DPP8 (unknown origin) using Ala-Pro-AMC as substrate by continuous fluorometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 5.83E+3nMAssay Description:Inhibition of recombinant his6-tagged FAP (unknown origin) using Nle-Pro-AMC as substrate by continuous fluorometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of human recombinant his6-tagged DPP4 using Ala-Pro-AMC as substrate by continuous fluorometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 3.06E+3nMAssay Description:Inhibition of recombinant his6-tagged DPP9 (unknown origin) using Ala-Pro-AMC as substrate by continuous fluorometric methodMore data for this Ligand-Target Pair
Affinity DataIC50: 16nMAssay Description:Inhibition of DPP4 (unknown origin) pre-incubated for 1 hr before Gly-Pro-pNA substrate addition and measured 2 hrs post substrate additionMore data for this Ligand-Target Pair
Affinity DataIC50: 22nMAssay Description:Inhibition of human recombinant DPP4 using H-Gly-Pro-AMC substrate incubated for 15 mins by fluorescent AMC release assayMore data for this Ligand-Target Pair
TargetPotassium voltage-gated channel subfamily D member 3(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 1.00E+8nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
Affinity DataIC50: 19nMAssay Description:Inhibition of DPP4 extracted from human Caco2 cells using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of human recombinant DPP8 using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 8.80E+4nMAssay Description:Inhibition of human recombinant DPP9 using H-Gly-Pro-AMC substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 2.07E+5nMAssay Description:Inhibition of DPP7 (unknown origin) expressed in baculovirus expression system using Nle-Pro-AMC as substrate by continuous fluorometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 20nMAssay Description:Inhibition of human recombinant DPP4 expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 6.74E+4nMAssay Description:Inhibition of DPP9 (unknown origin) expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 3.04E+4nMAssay Description:Inhibition of FAP (unknown origin) expressed in baculovirus expression system using Nle-Pro-AMC as substrate by continuous fluorometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 6.77E+4nMAssay Description:Inhibition of DPP8 (unknown origin) expressed in baculovirus expression system using Ala-Pro-AMC as substrate by continuous fluorometric assayMore data for this Ligand-Target Pair
Affinity DataIC50: 18nMAssay Description:Inhibition of human DPP-4 using H-Gly-Pro-para-Nitroanilide as substrate incubated for 20 mins prior to substrate addition measured after 30 mins by ...More data for this Ligand-Target Pair
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of human recombinant DPP8 pre-incubated with compound for 15 mins before substrate addition by luminescence assayMore data for this Ligand-Target Pair
Affinity DataIC50: 29nMAssay Description:Inhibition of human recombinant DPP4 pre-incubated with compound for 15 mins before substrate addition by luminescence assayMore data for this Ligand-Target Pair
TargetSodium channel protein type 5 subunit alpha(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 6.31E+5nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Homo sapiens (Human))
University Of Oxford
Curated by ChEMBL
University Of Oxford
Curated by ChEMBL
Affinity DataIC50: 1.00E+8nMAssay Description:Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automa...More data for this Ligand-Target Pair